element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:15:32       -9.455633         1.122712
BFGS:    1 17:15:32       -9.504271         0.895727
BFGS:    2 17:15:32       -9.578123         0.053113
BFGS:    3 17:15:33       -9.578339         0.007466
BFGS:    4 17:15:33       -9.578344         0.000051
BFGS:    5 17:15:33       -9.578344         0.000000
BFGS:    6 17:15:33       -9.578344         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7655967829006126e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2801352760900193, -8.66851030453264e-33, -4.371302853441582e-33], [-8.759289226638093e-33, 3.28013527609002, -3.450657050326804e-20], [-4.125574713942353e-34, -3.4506570503272553e-20, 3.2801352760900193]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.76559678e-14 -1.76559678e-14 -1.76559678e-14  1.72252823e-30
 -1.90935068e-34  2.54950229e-50]
energy per atom =  -4.789171838770249
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0